Name | Value |
---|---|
Natural Product; Phenylpropanoids | |
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 | |
C12H8O4 | |
216.042258736 | |
O=C1OC2=C(OC)C=3OC=CC3C=C2C=C1 | |
QXKHYNVANLEOEG-UHFFFAOYSA-N |
Name | Value |
---|---|
FIO01034 | |
2020.06.09 | |
Markus Kohlhoff, Natural Product Chemistry Lab (FIOCRUZ Minas, Brazil) | |
CC BY | |
(c) Institute Rene Rachou (FIOCRUZ Minas, Brazil) | |
[Raw Data] CBA87_Xanthotoxin_pos_10eV.txt | |
216.04226 | |
maXis, Bruker Daltonics | |
LC-ESI-QTOF | |
MS2 | |
4500 V | |
10 eV | |
Nitrogen | |
8 l/min | |
200 C | |
CID | |
ESI | |
3.0 bar | |
Shimadzu Shim-Pack XR-ODS III; C18; 2.2um; 80A; 2.0x150mm | |
40 C | |
5-100%B in 10min | |
400ul/min | |
0.1% formic acid in water | |
Acetonitrile | |
centroid | |
Mass++ 2.7.5 | |
positive | |
0.816515375997069 | |
0.45570590808645145 | |
[M+H]+ | |
217.050228736 | |
0.0 ppm | |
0.0 Da |